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Benzo[b]-1,5-naphthyridine,7,10-dichloro-2-methoxy- (6626-40-0)

Identification
Name:Benzo[b]-1,5-naphthyridine,7,10-dichloro-2-methoxy-
Synonyms:Pyrido[3,2-b]quinoline,7,10-dichloro-2-methoxy- (5CI);7,10-Dichloro-2-methoxypyrido[3,2-b]quinoline;NSC 59862;7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine;
CAS:6626-40-0
EINECS: 229-588-9
Molecular Formula: C13H8Cl2N2O
Molecular Weight: 279.12142
InChI: InChI=1/C13H8Cl2N2O/c1-18-11-5-4-9-13(17-11)12(15)8-3-2-7(14)6-10(8)16-9/h2-6H,1H3
Molecular Structure: (C13H8Cl2N2O) Pyrido[3,2-b]quinoline,7,10-dichloro-2-methoxy- (5CI);7,10-Dichloro-2-methoxypyrido[3,2-b]quinoline;...
Properties
Density:1.453 g/cm3
Refractive index:1.704
Specification:

The 7,10-Dichloro-2-methoxybenzo[b]-1,5-naphthyridine with the CAS number 6626-40-0 is also called Benzo[b]-1,5-naphthyridine,7,10-dichloro-2-methoxy-. Its EINECS registry number is 229-588-9. The molecular formula is C13H8Cl2N2O.

The properties of the chemical are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.34; (6)ACD/BCF (pH 7.4): 68.36; (7)ACD/KOC (pH 5.5): 715.84; (8)ACD/KOC (pH 7.4): 716.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 74.58 cm3; (15)Molar Volume: 192 cm3; (16)Polarizability: 29.56×10-24cm3; (17)Surface Tension: 58.7; (18)Enthalpy of Vaporization: 66.34 kJ/mol; (19)Vapour Pressure: 2.48×10-7 mmHg at 25°C.

Uses: This chemical can react with phenol to product 7-chloro-2-methoxy-10-phenoxy-benzo[b][1,5]naphthyridine. This reaction needs reagent NaOH at temperature of 120 - 130 °C. The yield is 83%. This reaction is Substitution.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c3nc(OC)ccc3nc1cc(Cl)ccc12
(2)InChI: InChI=1/C13H8Cl2N2O/c1-18-11-5-4-9-13(17-11)12(15)8-3-2-7(14)6-10(8)16-9/h2-6H,1H3
(3)InChIKey: KHPZCNJKNIHKPI-UHFFFAOYAP

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00415,

Safety Data
 

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